2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde

C18H42O6Si4 — CID 553416

IUPAC2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde
SMILESC[Si](C)(C)OC(C=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)21-14(13-19)15-16(22-26(4,5)6)17(23-27(7,8)9)18(20-15)24-28(10,11)12/h13-18H,1-12H3
InChIKeyGSCJUUMBENJXOW-UHFFFAOYSA-N
MW466.87 g/mol
LogP4.42
Rot. Bonds10

About 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde

2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde (PubChem CID 553416) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde
PubChem CID553416
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Name2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde
SMILESC[Si](C)(C)OC(C=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)21-14(13-19)15-16(22-26(4,5)6)17(23-27(7,8)9)18(20-15)24-28(10,11)12/h13-18H,1-12H3
InChIKeyGSCJUUMBENJXOW-UHFFFAOYSA-N
XLogP4.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11305043
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
D-(+)-Galacturonic acid, 5TMS derivative
CID 553415
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
D-Glucurono-gamma-lactone (isomer 1), 3TMS derivative
CID 553537
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931202
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931206
6-Deoxygalactonic acid, 1,4-lactone, TMS
CID 6427166
6-Deoxymannonic acid, 1,4-lactone, TMS
CID 6427167
Glucuronic acid TMS
CID 22214290

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde?
The IUPAC name of 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde (CID 553416) is 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde is C[Si](C)(C)OC(C=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde?
The InChIKey is GSCJUUMBENJXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-25(2,3)21-14(13-19)15-16(22-26(4,5)6)17(23-27(7,8)9)18(20-15)24-28(10,11)12/h13-18H,1-12H3.
What are the key properties of 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde?
2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde has a molecular weight of 466.87 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxy-2-[3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]acetaldehyde is sourced from PubChem (CID 553416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).